Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.
Compound
| ID: | 1168 | |
|---|---|---|
| Name: | 1-tert-butyl-4-methylbenzene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 1-tert butyl-4-methyl benzene | |
| Labels: | ||
| CAS: | 98-51-1 | |
| InChi Code: | InChI=1S/C11H16/c1-9-5-7-10(8-6-9)11(2,3)4/h5-8H,1-4H3 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 0.310825461 |
experimental value |
| 0.4946 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID1024704 | US EPA CompTox Dashboard |